tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate

C15H20N2O2S — CID 178075956

IUPACtert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C#N)s2)CC1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)13-5-4-12(10-16)20-13/h4-5,11H,6-9H2,1-3H3
InChIKeyYFNGVHJGVLZZLZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.73
Rot. Bonds1

About tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate (PubChem CID 178075956) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
PubChem CID178075956
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Nametert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccc(C#N)s2)CC1
InChIInChI=1S/C15H20N2O2S/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)13-5-4-12(10-16)20-13/h4-5,11H,6-9H2,1-3H3
InChIKeyYFNGVHJGVLZZLZ-UHFFFAOYSA-N
XLogP3.73
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(5-ethoxycarbonylthiophen-2-yl)piperidine-1-carboxylate
CID 86702006
tert-butyl 4-(4-cyano-3-pyridinyl)piperidine-1-carboxylate
CID 175285098
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 4-[(Z)-3-(4-cyanophenyl)prop-2-enyl]piperidine-1-carboxylate
CID 68715497
tert-butyl 4-cyano-3-hydroxypiperidine-1-carboxylate
CID 54013516
tert-butyl 4-(2-benzyl-1,3-thiazol-5-yl)piperidine-1-carboxylate
CID 18187483
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(2-cyanophenyl)sulfonylpiperidine-1-carboxylate
CID 53404123
tert-butyl 4-[2-(4-cyanophenoxy)ethyl]piperidine-1-carboxylate
CID 23034009
tert-butyl 4-(2,3-difluoro-6-methylphenyl)piperidine-1-carboxylate
CID 58149940
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948
tert-butyl 4-[(4-cyanophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 39860083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate (CID 178075956) is tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)s2)CC1.
What is the InChIKey of tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate?
The InChIKey is YFNGVHJGVLZZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-15(2,3)19-14(18)17-8-6-11(7-9-17)13-5-4-12(10-16)20-13/h4-5,11H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate has a molecular weight of 292.40 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-cyanothiophen-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 178075956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).